AUTHORS.rst
CONTRIBUTING.rst
HISTORY.rst
LICENSE
MANIFEST.in
README.rst
requirements.txt
requirements_dev.txt
requirements_install.txt
setup.cfg
setup.py
versioneer.py
docs/Makefile
docs/authors.rst
docs/conf.py
docs/history.rst
docs/index.rst
docs/make.bat
docs/_static/SEAMM Inverted 288x181.png
docs/_static/SEAMM logo.png
docs/_static/molssi_main_logo.png
docs/_static/molssi_main_logo_inverted_white.png
docs/_static/molssi_square.png
docs/_static/nsf.png
docs/api/index.rst
docs/developer_guide/contributing.rst
docs/developer_guide/index.rst
docs/developer_guide/installation.rst
docs/developer_guide/usage.rst
docs/getting_started/index.rst
docs/getting_started/read_dataset.png
docs/getting_started/read_options.png
docs/user_guide/add_to_dataset.png
docs/user_guide/create_dataset.png
docs/user_guide/create_options.png
docs/user_guide/create_table.png
docs/user_guide/creating.rst
docs/user_guide/edit_loop.png
docs/user_guide/index.rst
docs/user_guide/list_entries.png
docs/user_guide/mopac_dialog_1.png
docs/user_guide/mopac_dialog_2.png
docs/user_guide/mopac_flowchart.png
docs/user_guide/save_table.png
docs/user_guide/table.png
docs/user_guide/using.rst
qcarchive_step/__init__.py
qcarchive_step/_version.py
qcarchive_step/metadata.py
qcarchive_step/qcarchive.py
qcarchive_step/qcarchive_parameters.py
qcarchive_step/qcarchive_step.py
qcarchive_step/tk_qcarchive.py
qcarchive_step.egg-info/PKG-INFO
qcarchive_step.egg-info/SOURCES.txt
qcarchive_step.egg-info/dependency_links.txt
qcarchive_step.egg-info/entry_points.txt
qcarchive_step.egg-info/requires.txt
qcarchive_step.egg-info/top_level.txt
qcarchive_step.egg-info/zip-safe
qcarchive_step/data/properties.csv
qcarchive_step/data/references.bib
tests/__init__.py
tests/test_qcarchive_step.py